# generated using pymatgen
data_AsW48S95
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.14455100
_cell_length_b   22.10622300
_cell_length_c   14.20054100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsW48S95
_chemical_formula_sum   'As1 W48 S95'
_cell_volume   6009.86369232
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  As  As1  1  0.083333  0.791471  0.370203  1
  W  W2  1  0.000594  0.750447  0.500586  1
  W  W3  1  0.083333  0.874497  0.500754  1
  W  W4  1  -0.000017  0.499698  0.500051  1
  W  W5  1  0.083333  0.625202  0.500550  1
  W  W6  1  0.166072  0.750447  0.500586  1
  W  W7  1  0.249956  0.874893  0.500625  1
  W  W8  1  -0.000056  0.250125  0.499999  1
  W  W9  1  0.083333  0.375132  0.499939  1
  W  W10  1  0.166683  0.499698  0.500051  1
  W  W11  1  0.250310  0.624729  0.500330  1
  W  W12  1  0.333793  0.750027  0.500405  1
  W  W13  1  0.417004  0.875082  0.500070  1
  W  W14  1  -0.000194  0.000370  0.500297  1
  W  W15  1  0.083333  0.125311  0.500170  1
  W  W16  1  0.166723  0.250125  0.499999  1
  W  W17  1  0.249967  0.374956  0.499977  1
  W  W18  1  0.333442  0.500031  0.499985  1
  W  W19  1  0.416866  0.624869  0.500193  1
  W  W20  1  0.500165  0.749981  0.500021  1
  W  W21  1  0.583333  0.875099  0.499996  1
  W  W22  1  0.166861  0.000370  0.500297  1
  W  W23  1  0.249978  0.125211  0.500002  1
  W  W24  1  0.333387  0.250133  0.499969  1
  W  W25  1  0.416723  0.374934  0.499974  1
  W  W26  1  0.500079  0.499917  0.499982  1
  W  W27  1  0.583333  0.625080  0.500001  1
  W  W28  1  0.666502  0.749981  0.500021  1
  W  W29  1  0.749663  0.875082  0.500070  1
  W  W30  1  0.333599  0.000161  0.500053  1
  W  W31  1  0.416873  0.125069  0.499988  1
  W  W32  1  0.499902  0.250037  0.499999  1
  W  W33  1  0.583333  0.375100  0.500002  1
  W  W34  1  0.666588  0.499917  0.499982  1
  W  W35  1  0.749801  0.624869  0.500193  1
  W  W36  1  0.832873  0.750027  0.500406  1
  W  W37  1  0.916710  0.874893  0.500626  1
  W  W38  1  0.499914  0.000017  0.499955  1
  W  W39  1  0.583333  0.124983  0.500003  1
  W  W40  1  0.666765  0.250037  0.499999  1
  W  W41  1  0.749944  0.374934  0.499974  1
  W  W42  1  0.833225  0.500031  0.499985  1
  W  W43  1  0.916356  0.624729  0.500330  1
  W  W44  1  0.666752  0.000017  0.499955  1
  W  W45  1  0.749794  0.125069  0.499988  1
  W  W46  1  0.833280  0.250133  0.499969  1
  W  W47  1  0.916699  0.374956  0.499977  1
  W  W48  1  0.833068  0.000161  0.500053  1
  W  W49  1  0.916689  0.125211  0.500002  1
  S  S50  1  0.166615  0.916595  0.390407  1
  S  S51  1  0.083333  0.541820  0.389839  1
  S  S52  1  0.166740  0.666734  0.390345  1
  S  S53  1  0.250126  0.791557  0.390227  1
  S  S54  1  0.333176  0.916489  0.389790  1
  S  S55  1  0.083333  0.291724  0.389358  1
  S  S56  1  0.166658  0.416501  0.389190  1
  S  S57  1  0.249980  0.541441  0.389485  1
  S  S58  1  0.333530  0.666591  0.389814  1
  S  S59  1  0.416928  0.791713  0.389483  1
  S  S60  1  0.500103  0.916705  0.389184  1
  S  S61  1  0.083333  0.041865  0.389838  1
  S  S62  1  0.166663  0.166790  0.389396  1
  S  S63  1  0.250022  0.291642  0.389269  1
  S  S64  1  0.333363  0.416578  0.389441  1
  S  S65  1  0.416776  0.541609  0.389403  1
  S  S66  1  0.500035  0.666607  0.389368  1
  S  S67  1  0.583333  0.791655  0.389295  1
  S  S68  1  0.666564  0.916705  0.389184  1
  S  S69  1  0.250259  0.041764  0.389541  1
  S  S70  1  0.333424  0.166720  0.389470  1
  S  S71  1  0.416695  0.291658  0.389264  1
  S  S72  1  0.500006  0.416606  0.389306  1
  S  S73  1  0.583333  0.541635  0.389377  1
  S  S74  1  0.666632  0.666607  0.389368  1
  S  S75  1  0.749738  0.791713  0.389483  1
  S  S76  1  0.833491  0.916489  0.389790  1
  S  S77  1  0.416830  0.041698  0.389282  1
  S  S78  1  0.500085  0.166684  0.389344  1
  S  S79  1  0.583333  0.291638  0.389503  1
  S  S80  1  0.666661  0.416606  0.389306  1
  S  S81  1  0.749891  0.541609  0.389403  1
  S  S82  1  0.833137  0.666591  0.389814  1
  S  S83  1  0.916540  0.791557  0.390227  1
  S  S84  1  0.000052  0.916595  0.390407  1
  S  S85  1  0.583333  0.041579  0.389387  1
  S  S86  1  0.666581  0.166684  0.389344  1
  S  S87  1  0.749971  0.291658  0.389264  1
  S  S88  1  0.833303  0.416578  0.389441  1
  S  S89  1  0.916687  0.541441  0.389485  1
  S  S90  1  -0.000073  0.666734  0.390345  1
  S  S91  1  0.749837  0.041698  0.389282  1
  S  S92  1  0.833242  0.166720  0.389470  1
  S  S93  1  0.916645  0.291642  0.389269  1
  S  S94  1  0.000009  0.416501  0.389190  1
  S  S95  1  0.916407  0.041764  0.389541  1
  S  S96  1  0.000004  0.166790  0.389396  1
  S  S97  1  0.083333  0.791683  0.610719  1
  S  S98  1  0.166772  0.917038  0.611095  1
  S  S99  1  0.083333  0.541492  0.610469  1
  S  S100  1  0.167011  0.666469  0.610970  1
  S  S101  1  0.250377  0.791548  0.611156  1
  S  S102  1  0.333516  0.916702  0.610608  1
  S  S103  1  0.083333  0.291723  0.610572  1
  S  S104  1  0.166697  0.416471  0.610763  1
  S  S105  1  0.250033  0.541237  0.610770  1
  S  S106  1  0.333682  0.666491  0.610790  1
  S  S107  1  0.417126  0.791821  0.610817  1
  S  S108  1  0.500156  0.916721  0.610798  1
  S  S109  1  0.083333  0.042013  0.610728  1
  S  S110  1  0.166725  0.166851  0.610752  1
  S  S111  1  0.250023  0.291655  0.610674  1
  S  S112  1  0.333365  0.416563  0.610496  1
  S  S113  1  0.416809  0.541508  0.610734  1
  S  S114  1  0.500121  0.666624  0.610768  1
  S  S115  1  0.583333  0.791690  0.610682  1
  S  S116  1  0.666511  0.916721  0.610798  1
  S  S117  1  0.250401  0.041890  0.610722  1
  S  S118  1  0.333428  0.166740  0.610479  1
  S  S119  1  0.416686  0.291668  0.610676  1
  S  S120  1  0.500004  0.416601  0.610641  1
  S  S121  1  0.583333  0.541608  0.610591  1
  S  S122  1  0.666546  0.666624  0.610768  1
  S  S123  1  0.749541  0.791821  0.610817  1
  S  S124  1  0.833151  0.916702  0.610608  1
  S  S125  1  0.416828  0.041747  0.610697  1
  S  S126  1  0.500088  0.166684  0.610636  1
  S  S127  1  0.583333  0.291641  0.610477  1
  S  S128  1  0.666663  0.416601  0.610641  1
  S  S129  1  0.749858  0.541508  0.610734  1
  S  S130  1  0.832985  0.666491  0.610790  1
  S  S131  1  0.916289  0.791548  0.611156  1
  S  S132  1  -0.000106  0.917038  0.611095  1
  S  S133  1  0.583333  0.041597  0.610519  1
  S  S134  1  0.666578  0.166684  0.610636  1
  S  S135  1  0.749981  0.291668  0.610676  1
  S  S136  1  0.833302  0.416563  0.610496  1
  S  S137  1  0.916633  0.541237  0.610770  1
  S  S138  1  -0.000344  0.666469  0.610970  1
  S  S139  1  0.749839  0.041747  0.610697  1
  S  S140  1  0.833239  0.166740  0.610479  1
  S  S141  1  0.916643  0.291655  0.610674  1
  S  S142  1  -0.000030  0.416471  0.610763  1
  S  S143  1  0.916266  0.041890  0.610722  1
  S  S144  1  -0.000059  0.166851  0.610752  1
